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SMILES: C[C@]1(O)C[C@H](/C2=C/C=C\C=C/C=C\2)[C@]2(COc3ccccc3C2=O)n2n1c(=O)n(-c1ccccc1)c2=O

InChI Key: InChIKey=ORFFDQFWLRDVQN-XTARYGMQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50535487   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Vitamin K epoxide reductase complex subunit 1


(Homo sapiens (Human))		BDBM50535487
PNG
(CHEMBL4530669)
Show SMILES C[C@]1(O)C[C@H](/C2=C/C=C\C=C/C=C\2)[C@]2(COc3ccccc3C2=O)n2n1c(=O)n(-c1ccccc1)c2=O |r,c:7,9,11,t:5|
Show InChI InChI=1S/C29H25N3O5/c1-28(36)18-23(20-12-6-3-2-4-7-13-20)29(19-37-24-17-11-10-16-22(24)25(29)33)32-27(35)30(26(34)31(28)32)21-14-8-5-9-15-21/h2-17,23,36H,18-19H2,1H3/b3-2-,4-2-,6-3-,7-4-,12-6-,13-7-,20-12+,20-13+/t23-,28+,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of VKOR (unknown origin) in HEK293 expressing FIXgla-PC incubated for 48 hrs by ELISA

Bioorg Med Chem Lett 29: 1954-1956 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.039
BindingDB Entry DOI: 10.7270/Q2TQ652J
More data for this
Ligand-Target Pair